SCHEMBL6048541

SCHEMBL6048541

CN(C)Cc1ccccc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.59
DRD1 P21728 1/20 0.50
NMT1 P30419 1/20 0.48
PTGS1 P23219 1/20 0.47
SLC6A4 P31645 1/20 0.45
GRM2 Q14416 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6048552 0.98 PTGS2 (0.57) PTGS2DRD1NMT1PTGS1SLC6A4
SCHEMBL13675349 0.83 PTGS2 (0.67) PTGS2DRD1PTGS1
SCHEMBL27518944 0.83 PTGS2 (0.53) PTGS2PTGS1SLC6A4
SCHEMBL5723494 0.81 PTGS2 (0.65) PTGS2DRD1PTGS1
Hydrochloric Acid SCHEMBL27503734 0.81 PTGS2 (0.51) PTGS2PTGS1SLC6A4
SCHEMBL8604437 0.79 PTGS2 (0.61) PTGS2DRD1PTGS1
SCHEMBL3464186 0.79 DPP4 (0.54) SLC6A4GRM2
SCHEMBL6772767 0.78 SLC6A4 (0.53) SLC6A4GRM2
SCHEMBL8604252 0.77 PTGS2 (0.59) PTGS2DRD1PTGS1
Hydrochloric Acid SCHEMBL6048562 0.77 DPP4 (0.52) SLC6A4GRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202953-B1 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES GRUENENTHAL GMBH (DE) 2006-08-30 EP claimed
US-6710080-B2 ANALGESICS GRUENENTHAL GMBH (DE) 2004-03-23 US claimed
JP-2003506426-A 2003-02-18 JP claimed
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2002-12-26 US claimed
EP-1202953-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2002-05-08 EP claimed
WO-2001010816-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2001-02-15 WO claimed
EP-1202953-B1 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES GRUENENTHAL GMBH (DE) 2006-08-30 EP disclosed
US-6710080-B2 ANALGESICS GRUENENTHAL GMBH (DE) 2004-03-23 US disclosed
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2002-12-26 US disclosed
EP-1202953-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2002-05-08 EP disclosed
WO-2001010816-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2001-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives LIPA, PKD1, PKD2 PTGS2 586/4885DRD1 2325/4885NMT1 4308/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.